(3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide

C22H26N6O3 — CID 51871814

About (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 51871814) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide
• PubChem CID: 51871814
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide
• SMILES: CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1
• InChI: InChI=1S/C22H26N6O3/c1-27-20(26-22(31)17-5-2-10-24-21(17)27)14-6-8-16(9-7-14)25-18(29)13-28-11-3-4-15(12-28)19(23)30/h2,5-10,15,20H,3-4,11-13H2,1H3,(H2,23,30)(H,25,29)(H,26,31)/t15-,20+/m0/s1
• InChIKey: QLTKKQPPIIXFGW-MGPUTAFESA-N
• XLogP: 1.10
• TPSA: 120.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide (CID 51871814) is (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide is CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1.

What is the InChIKey of (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide?

The InChIKey is QLTKKQPPIIXFGW-MGPUTAFESA-N. The full InChI is InChI=1S/C22H26N6O3/c1-27-20(26-22(31)17-5-2-10-24-21(17)27)14-6-8-16(9-7-14)25-18(29)13-28-11-3-4-15(12-28)19(23)30/h2,5-10,15,20H,3-4,11-13H2,1H3,(H2,23,30)(H,25,29)(H,26,31)/t15-,20+/m0/s1.

What are the key properties of (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide?

(3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 51871814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).